N4-(phenylmethyl)-N4-pyridin-2-yl-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(phenylmethyl)-N4-pyridin-2-yl-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-benzyl-N4-(2-pyridyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(phenylmethyl)-N4-(2-pyridinyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-benzyl-4-N-pyridin-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C22H21N7 MolecularWeight: 383.44904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3N)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3N)NCC4=CN=CC=C4

InChI

InChI=1S/C22H21N7/c23-20-21(26-14-18-9-6-11-24-13-18)27-16-28-22(20)29(19-10-4-5-12-25-19)15-17-7-2-1-3-8-17/h1-13,16H,14-15,23H2,(H,26,27,28)